CID 680472

2,4,4-triphenyl-2-oxazolin-5-one

Structural Information

Molecular Formula
C21H15NO2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H15NO2/c23-20-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)22-19(24-20)16-10-4-1-5-11-16/h1-15H
InChIKey
FDCNXEHWJNKGOX-UHFFFAOYSA-N
Compound name
2,4,4-triphenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1103 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.117576 173.4
[M+Na]+ 336.099518 181.8
[M-H]- 312.103024 185.8
[M+NH4]+ 331.144123 187.9
[M+K]+ 352.073458 177.1
[M+H-H2O]+ 296.107560 163.3
[M+HCOO]- 358.108501 195.7
[M+CH3COO]- 372.124151 185.4
[M+Na-2H]- 334.084966 178.4
[M]+ 313.10975142 173.1
[M]- 313.11084858 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe